4-benzyl-1-methylsulfonylpiperidine

C13H19NO2S — CID 2223752

IUPAC4-benzyl-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyXDRPHPUMBKGZKY-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.90
Rot. Bonds3

About 4-benzyl-1-methylsulfonylpiperidine

4-benzyl-1-methylsulfonylpiperidine (PubChem CID 2223752) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-benzyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-methylsulfonylpiperidine
PubChem CID2223752
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-benzyl-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyXDRPHPUMBKGZKY-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2842402
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CID 203697
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CID 11218224
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CID 71928
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CID 71699218
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CID 10018300
CID 10018300
CID 727417
CID 727417

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methylsulfonylpiperidine?
The IUPAC name of 4-benzyl-1-methylsulfonylpiperidine (CID 2223752) is 4-benzyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-methylsulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-methylsulfonylpiperidine?
The InChIKey is XDRPHPUMBKGZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of 4-benzyl-1-methylsulfonylpiperidine?
4-benzyl-1-methylsulfonylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 2223752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).